4-Ethylthiazole-2-carbaldehyde - ≥98% , CAS No.211943-05-4

CAS: 211943-05-4 Cat. No.: E192030 Formule: C₆H₇NOS Poids moléculaire: 141.19 Numéro CE: 102-219-8

GRADE & PURITY ≥98%

Synonyms

4-ethyl-2-Thiazolecarboxaldehyde | FT-0647826 | 4-Ethylthiazole-2-carbaldehyde | 4-ethyl-2-thiazole carbaldehyde | MFCD11520452 | 2-Thiazolecarboxaldehyde,4-ethyl-(9ci) | SCHEMBL1711643 | DTXSID50665426 | 4-ethyl-1,3-thiazole-2-carbaldehyde | GS-6022 | AK

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-ethyl-2-Thiazolecarboxaldehyde | FT-0647826 | 4-Ethylthiazole-2-carbaldehyde | 4-ethyl-2-thiazole carbaldehyde | MFCD11520452 | 2-Thiazolecarboxaldehyde,4-ethyl-(9ci) | SCHEMBL1711643 | DTXSID50665426 | 4-ethyl-1,3-thiazole-2-carbaldehyde | GS-6022 | AK

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCC1=CSC(=N1)C=O
• IUPAC Name: 4-ethyl-1,3-thiazole-2-carbaldehyde
• InChIKey: JDGBKOBUBCHSGF-UHFFFAOYSA-N
• INCHI: 1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
• Isomères SMILES: CCC1=CSC(=N1)C=O
• Poids moléculaire: 141.19
• Reaxy-Rn: 32852574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32852574&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 141.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 141.025 Da
• Monoisotopic Mass: 141.025 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1